Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:ixazomib citrate
go back to main search page
Accession:CHEBI:90939 term browser browse the term
Definition:A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of 2,2'-{2-[(1R)-1-amino-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid. A prodrug for ixazomib that is used in combination therapy for treatment of multiple myeloma.
Synonyms:exact_synonym: 2,2'-{2-[(1R)-1-{[N-(2,5-dichlorobenzoyl)glycyl]amino}-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid
 related_synonym: Formula=C20H23BCl2N2O9;   InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-19(32)20(34-21,7-16(27)28)8-17(29)30)25-15(26)9-24-18(31)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/t14-/m0/s1;   InChIKey=MBOMYENWWXQSNW-AWEZNQCLSA-N;   MLN 9708;   MLN9708;   NINLARO;   SMILES=C(NCC(N[C@@H](CC(C)C)B1OC(C(O1)(CC(=O)O)CC(=O)O)=O)=O)(C2=CC(=CC=C2Cl)Cl)=O
 xref: CAS:1239908-20-3;   KEGG:D10131;   PMID:24086952;   PMID:24285522;   PMID:24292417;   PMID:24486586;   PMID:24737138;   PMID:24904120;   PMID:24920586;   PMID:25302026;   PMID:25325301;   PMID:25613668;   PMID:25832873;   PMID:25935605;   PMID:26275080;   PMID:26565697;   Reaxys:27723083;   Wikipedia:Ixazomib


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      application 19406
        pro-agent 8879
          prodrug 8634
            ixazomib citrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        carboacyl group 17416
                                          univalent carboacyl group 17416
                                            carbamoyl group 17213
                                              carboxamide 17213
                                                monocarboxylic acid amide 14602
                                                  arenecarboxamide 6540
                                                    benzamides 6540
                                                      ixazomib 1
                                                        ixazomib citrate 0
paths to the root